Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes

Using first-principles calculations, a comprehensive intrinsic defect study on high-voltage spinel LiMn 1.5 Ni 0.5 O 4 (LMNO) cathode shows that the defect chemistry of this material is dominated by cation antisites and their complexes.